(3R)-3-[[1-[(1R)-6-[(cyclopentylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,3-triazol-4-yl]methyl]-4-(phenylsulfonyl)piperazin-2-one

Systemtic Name: (3R)-3-[[1-[(1R)-6-[(cyclopentylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,3-triazol-4-yl]methyl]-4-(phenylsulfonyl)piperazin-2-one Openeye Name: (3R)-4-(benzenesulfonyl)-3-[[1-[(1R)-6-[(cyclopentylamino)methyl]tetralin-1-yl]triazol-4-yl]methyl]piperazin-2-one CAS Name: (3R)-4-(benzenesulfonyl)-3-[[1-[(1R)-6-[(cyclopentylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-triazolyl]methyl]-2-piperazinone IUPAC Name: (3R)-4-(benzenesulfonyl)-3-[[1-[(1R)-6-[(cyclopentylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]triazol-4-yl]methyl]piperazin-2-one Traditional Name: (3R)-4-besyl-3-[[1-[(1R)-6-[(cyclopentylamino)methyl]tetralin-1-yl]triazol-4-yl]methyl]piperazin-2-one Formula: C29H36N6O3S MolecularWeight: 548.69954

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NCC2=CC3=C(C=C2)C(CCC3)N4C=C(N=N4)CC5C(=O)NCCN5S(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

C1CCC(C1)NCC2=CC3=C(C=C2)[C@@H](CCC3)N4C=C(N=N4)C[C@@H]5C(=O)NCCN5S(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C29H36N6O3S/c36-29-28(35(16-15-30-29)39(37,38)25-10-2-1-3-11-25)18-24-20-34(33-32-24)27-12-6-7-22-17-21(13-14-26(22)27)19-31-23-8-4-5-9-23/h1-3,10-11,13-14,17,20,23,27-28,31H,4-9,12,15-16,18-19H2,(H,30,36)/t27-,28-/m1/s1